1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone

C25H20N2O2S — CID 171136616

IUPAC1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone
SMILESCC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1C=Cc1ccccc1
InChIInChI=1S/C25H20N2O2S/c1-15-20(16(2)28)19(14-13-17-9-5-3-6-10-17)21-22(26)24(30-25(21)27-15)23(29)18-11-7-4-8-12-18/h3-14H,26H2,1-2H3
InChIKeyUUKFVRTYHFGNNR-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.79
Rot. Bonds5

About 1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone

1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone (PubChem CID 171136616) has the molecular formula C25H20N2O2S and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone
PubChem CID171136616
Molecular FormulaC25H20N2O2S
Molecular Weight412.51 g/mol
Exact Mass412.12
IUPAC Name1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone
SMILESCC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1C=Cc1ccccc1
InChIInChI=1S/C25H20N2O2S/c1-15-20(16(2)28)19(14-13-17-9-5-3-6-10-17)21-22(26)24(30-25(21)27-15)23(29)18-11-7-4-8-12-18/h3-14H,26H2,1-2H3
InChIKeyUUKFVRTYHFGNNR-UHFFFAOYSA-N
XLogP5.79
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone with MolForge

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Related Compounds

1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone
CID 14268896
1-[3-amino-4-(4-chlorophenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 9499494
(4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
CID 1480855
3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide
CID 1007127
[3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 10864030
1-(3,4-diamino-5-benzoylthieno[2,3-b]thiophen-2-yl)ethanone
CID 57149764
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201
2-(3-amino-2-benzoyl-4,6-dimethylthieno[2,3-b]pyridin-5-yl)-1-(4-bromophenyl)ethanone
CID 4265083
(2-amino-4,5-dimethylthiophen-3-yl)-phenylmethanone;1-(2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridin-5-yl)ethanone
CID 157425406
4-(5-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonyl)-3-(4-methylphenyl)oxadiazol-3-ium-5-olate
CID 137259009
[3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 144756269
(4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
CID 12695355

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone (CID 171136616) is 1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone is CC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1C=Cc1ccccc1.
What is the InChIKey of 1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone?
The InChIKey is UUKFVRTYHFGNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2S/c1-15-20(16(2)28)19(14-13-17-9-5-3-6-10-17)21-22(26)24(30-25(21)27-15)23(29)18-11-7-4-8-12-18/h3-14H,26H2,1-2H3.
What are the key properties of 1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone?
1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 412.51 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 171136616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).